4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide

C19H31N3O2 — CID 51074621

IUPAC4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31N3O2/c1-2-3-20-18(24)22-6-4-21(5-7-22)17(23)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3,(H,20,24)
InChIKeyKJKSUHIDYWDHGF-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.47
Rot. Bonds3

About 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide

4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide (PubChem CID 51074621) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide
PubChem CID51074621
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H31N3O2/c1-2-3-20-18(24)22-6-4-21(5-7-22)17(23)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3,(H,20,24)
InChIKeyKJKSUHIDYWDHGF-UHFFFAOYSA-N
XLogP2.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide (CID 51074621) is 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is KJKSUHIDYWDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-2-3-20-18(24)22-6-4-21(5-7-22)17(23)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3,(H,20,24).
What are the key properties of 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide?
4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(adamantane-1-carbonyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 51074621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).